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Home > Bromides > 1233181-67-3
1233181-67-3 | Pyrrolo[2,1-f][1,2,4]triazine, 5-bromo-2-(methylthio)-
CAS No: 1233181-67-3 Catalog No: AG000KCA MDL No:MFCD22191300
Product Description
Catalog Number:
AG000KCA
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine, 5-bromo-2-(methylthio)-
CAS Number:
1233181-67-3
Molecular Formula:
C7H6BrN3S
Molecular Weight:
244.1116
MDL Number:
MFCD22191300
IUPAC Name:
5-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
InChI:
InChI=1S/C7H6BrN3S/c1-12-7-9-4-6-5(8)2-3-11(6)10-7/h2-4H,1H3
InChI Key:
PGDYWSRJVBROKM-UHFFFAOYSA-N
SMILES:
CSc1ncc2n(n1)ccc2Br
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.11g/mol
Monoisotopic Mass:
242.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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